Molecule card · MolClass #1352
Convolamine hydrochloride
Convolamine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Convolamine hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1352
- InChIKey
- AEFPCFUCFQBXDQ-CHWSQXEVSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C(=O)OC2CC3CCC(C2)N3(C)
- Standard InChI
- InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3/t12-,13-/m1/s1
- Stored Murcko scaffold
- O([CH]c1ccccc1)C2CC3NC(CC3)C2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- LOPAC 00555#1138
- Fillalbin#1824
- COc1cc(ccc1O)C(=O)OC1CC2CCC(C1)N2C#155027
- Cl.COc1ccc(cc1OC)C(=O)OC1CC2CCC(C1)N2C#155143
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.369 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.496
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Convolamine hydrochloride